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31 similar compounds to monomer 50189014

Compile data set for download or QSAR
Wt: 635.7
BDBM50031413
Wt: 667.8
BDBM50031426
Wt: 678.8
BDBM50031430
Wt: 678.8
BDBM50031432
Wt: 761.8
BDBM50054859
Wt: 932.0
BDBM50090728
Wt: 932.0
BDBM50090735
Wt: 890.0
BDBM50090753
Wt: 658.7
BDBM50166094
Wt: 658.7
BDBM50166102
Wt: 560.6
BDBM50189009
Wt: 549.6
BDBM50189012
Wt: 576.6
BDBM50189015
Wt: 519.6
BDBM50189017
Wt: 575.6
BDBM50189019
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50031413,50031426,50031430,50031432,50054859,50090728,50090735,50090753,50166094,50166102,50189009,50189012,50189015,50189017,50189019   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189009
PNG
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189019
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1
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7n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189019
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1
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75n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189017
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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189n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells


J Med Chem 51: 6055-66 (2008)


Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189017
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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189n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189009
PNG
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1
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206n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189012
PNG
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1
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225n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189015
PNG
(1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1
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261n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189019
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1
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366n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189015
PNG
(1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1
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461n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189009
PNG
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1
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958n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189012
PNG
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1
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1.14E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189015
PNG
(1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1
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2.13E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189012
PNG
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1
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4.06E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189017
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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4.12E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189017
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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4.12E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells


J Med Chem 51: 6055-66 (2008)


Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189017
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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5.82E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay


J Med Chem 51: 6055-66 (2008)


Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189017
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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5.82E+3n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189019
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189012
PNG
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1
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n/an/an/an/a 2.17E+4n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189017
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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n/an/an/an/a 45n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells


J Med Chem 51: 6055-66 (2008)


Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189012
PNG
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189009
PNG
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1
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n/an/an/an/a 1.39E+3n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50166102
PNG
(CHEMBL371993 | N-{3-[(2S,5S,11R,14R)-11-(4-Hydroxy...)
Show SMILES C[C@H]1N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C34H42N8O6/c1-20-30(45)40-26(8-5-15-37-34(35)36)32(47)41-27(18-22-9-12-23-6-3-4-7-24(23)16-22)31(46)38-19-29(44)39-28(33(48)42(20)2)17-21-10-13-25(43)14-11-21/h3-4,6-7,9-14,16,20,26-28,43H,5,8,15,17-19H2,1-2H3,(H,38,46)(H,39,44)(H,40,45)(H,41,47)(H4,35,36,37)/t20-,26+,27+,28-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells


J Med Chem 48: 3280-9 (2005)


Article DOI: 10.1021/jm050009h
BindingDB Entry DOI: 10.7270/Q24X5790
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50166094
PNG
(CHEMBL373155 | N-{3-[(2S,5S,11R,14S)-11-(4-Hydroxy...)
Show SMILES C[C@@H]1N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
Show InChI InChI=1S/C34H42N8O6/c1-20-30(45)40-26(8-5-15-37-34(35)36)32(47)41-27(18-22-9-12-23-6-3-4-7-24(23)16-22)31(46)38-19-29(44)39-28(33(48)42(20)2)17-21-10-13-25(43)14-11-21/h3-4,6-7,9-14,16,20,26-28,43H,5,8,15,17-19H2,1-2H3,(H,38,46)(H,39,44)(H,40,45)(H,41,47)(H4,35,36,37)/t20-,26-,27-,28+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 (CXCR4) expressed in CHO cells


J Med Chem 48: 3280-9 (2005)


Article DOI: 10.1021/jm050009h
BindingDB Entry DOI: 10.7270/Q24X5790
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090753
PNG
(1-[2-(2-{2-[2-(2-Amino-3-naphthalen-2-yl-propionyl...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(N)=O
Show InChI InChI=1S/C47H59N11O7/c1-29(41(49)60)54-45(64)39-19-11-23-58(39)46(65)36(18-10-22-52-47(50)51)55-40(59)28-53-43(62)37(26-30-12-4-2-5-13-30)57-44(63)38(27-31-14-6-3-7-15-31)56-42(61)35(48)25-32-20-21-33-16-8-9-17-34(33)24-32/h2-9,12-17,20-21,24,29,35-39H,10-11,18-19,22-23,25-28,48H2,1H3,(H2,49,60)(H,53,62)(H,54,64)(H,55,59)(H,56,61)(H,57,63)(H4,50,51,52)/t29-,35-,36+,37+,38+,39+/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


Article DOI: 10.1021/jm990433g
BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090735
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-1-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61N11O8/c1-30(43(50)63)55-47(67)41-23-13-25-60(41)48(68)37(22-12-24-53-49(51)52)57-42(62)29-54-44(64)38(26-32-14-5-3-6-15-32)58-45(65)39(27-33-16-7-4-8-17-33)59-46(66)40(56-31(2)61)28-35-20-11-19-34-18-9-10-21-36(34)35/h3-11,14-21,30,37-41H,12-13,22-29H2,1-2H3,(H2,50,63)(H,54,64)(H,55,67)(H,56,61)(H,57,62)(H,58,65)(H,59,66)(H4,51,52,53)/t30-,37+,38+,39+,40-,41+/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


Article DOI: 10.1021/jm990433g
BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50090728
PNG
(1-[2-(2-{2-[2-(2-Acetylamino-3-naphthalen-2-yl-pro...)
Show SMILES C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(N)=O
Show InChI InChI=1S/C49H61N11O8/c1-30(43(50)63)55-47(67)41-20-12-24-60(41)48(68)37(19-11-23-53-49(51)52)57-42(62)29-54-44(64)38(26-32-13-5-3-6-14-32)58-46(66)40(27-33-15-7-4-8-16-33)59-45(65)39(56-31(2)61)28-34-21-22-35-17-9-10-18-36(35)25-34/h3-10,13-18,21-22,25,30,37-41H,11-12,19-20,23-24,26-29H2,1-2H3,(H2,50,63)(H,54,64)(H,55,67)(H,56,61)(H,57,62)(H,58,66)(H,59,65)(H4,51,52,53)/t30-,37+,38+,39-,40+,41+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes


J Med Chem 43: 2831-6 (2000)


Article DOI: 10.1021/jm990433g
BindingDB Entry DOI: 10.7270/Q29P30W3
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189015
PNG
(1-(3-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O4/c1-35-28(39)27(19-21-8-11-22-5-2-3-6-23(22)17-21)38-16-15-37(26(30(38)41)7-4-14-36-31(34)42)29(40)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,35,39)(H3,34,36,42)/t25-,26+,27+/m1/s1
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n/an/an/an/a 12n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189009
PNG
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189009
PNG
((S)-2-((S)-4-(3-(4-fluorophenyl)propanoyl)-3-(3-gu...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C31H37FN6O3/c1-35-29(40)27(20-22-8-12-23-5-2-3-6-24(23)19-22)38-18-17-37(26(30(38)41)7-4-16-36-31(33)34)28(39)15-11-21-9-13-25(32)14-10-21/h2-3,5-6,8-10,12-14,19,26-27H,4,7,11,15-18,20H2,1H3,(H,35,40)(H4,33,34,36)/t26-,27-/m0/s1
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n/an/an/an/a 142n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189019
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50189017
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCN)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H34FN5O3/c1-33-27(36)26(18-20-6-9-21-4-2-3-5-22(21)16-20)35-15-14-34(25(12-13-31)29(35)38)28(37)24(32)17-19-7-10-23(30)11-8-19/h2-11,16,24-26H,12-15,17-18,31-32H2,1H3,(H,33,36)/t24-,25+,26+/m1/s1
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n/an/an/an/a 45n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocortin receptor 3 (MC3R)


(Homo sapiens (Human))
BDBM50189012
PNG
((S)-2-((R)-2-amino-3-(4-fluorophenyl)propanamido)-...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C29H36FN7O3/c1-34-27(39)25(17-19-8-11-20-5-2-3-6-21(20)15-19)37-28(40)24(7-4-14-35-29(32)33)36-26(38)23(31)16-18-9-12-22(30)13-10-18/h2-3,5-6,8-13,15,23-25H,4,7,14,16-17,31H2,1H3,(H,34,39)(H,36,38)(H,37,40)(H4,32,33,35)/t23-,24+,25+/m1/s1
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n/an/an/an/a 2.00E+4n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC3R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM50189019
PNG
((S)-2-((S)-4-((R)-2-amino-3-(4-fluorophenyl)propan...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCCN=C(N)N)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H38FN7O3/c1-36-28(40)27(19-21-8-11-22-5-2-3-6-23(22)17-21)39-16-15-38(26(30(39)42)7-4-14-37-31(34)35)29(41)25(33)18-20-9-12-24(32)13-10-20/h2-3,5-6,8-13,17,25-27H,4,7,14-16,18-19,33H2,1H3,(H,36,40)(H4,34,35,37)/t25-,26+,27+/m1/s1
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n/an/an/an/a 317n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC1R


Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50031432
PNG
((S)-2-{(S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C30H51FN12O5/c1-16(2)14-22(27(47)40-20(24(33)44)6-4-12-38-29(34)35)43-26(46)21(7-5-13-39-30(36)37)41-28(48)23(42-25(45)17(3)32)15-18-8-10-19(31)11-9-18/h8-11,16-17,20-23H,4-7,12-15,32H2,1-3H3,(H2,33,44)(H,40,47)(H,41,48)(H,42,45)(H,43,46)(H4,34,35,38)(H4,36,37,39)/t17-,20-,21-,22-,23-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


J Med Chem 38: 4125-30 (1995)


Article DOI: 10.1021/jm00020a029
BindingDB Entry DOI: 10.7270/Q21J98SG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50031426
PNG
((S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-naphth...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C34H53N9O5/c1-19(2)15-26(31(46)40-25(29(36)44)11-8-14-39-34(37)38)42-32(47)27(16-20(3)4)43-33(48)28(41-30(45)21(5)35)18-22-12-13-23-9-6-7-10-24(23)17-22/h6-7,9-10,12-13,17,19-21,25-28H,8,11,14-16,18,35H2,1-5H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H,43,48)(H4,37,38,39)/t21-,25-,26-,27-,28-/m0/s1
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n/an/an/an/a 1.90E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


J Med Chem 38: 4125-30 (1995)


Article DOI: 10.1021/jm00020a029
BindingDB Entry DOI: 10.7270/Q21J98SG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50054859
PNG
(2-{(R)-2-[2-(3-Acetylamino-propionylamino)-3-(4-fl...)
Show SMILES CC(C)CC(NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C(Cc1ccc(F)cc1)NC(=O)CCNC(C)=O)C(=O)NC(CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C39H52FN9O6/c1-23(2)19-31(36(53)47-30(35(41)52)9-6-17-45-39(42)43)48-38(55)33(22-26-10-13-27-7-4-5-8-28(27)20-26)49-37(54)32(21-25-11-14-29(40)15-12-25)46-34(51)16-18-44-24(3)50/h4-5,7-8,10-15,20,23,30-33H,6,9,16-19,21-22H2,1-3H3,(H2,41,52)(H,44,50)(H,46,51)(H,47,53)(H,48,55)(H,49,54)(H4,42,43,45)/t30?,31?,32?,33-/m1/s1
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n/an/an/an/a 270n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of platelet aggregation


J Med Chem 39: 4879-87 (1997)


Article DOI: 10.1021/jm960455s
BindingDB Entry DOI: 10.7270/Q26W9BRV
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50031413
PNG
((S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-(4-flu...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C30H50FN9O5/c1-16(2)13-22(27(43)37-21(25(33)41)7-6-12-36-30(34)35)39-28(44)23(14-17(3)4)40-29(45)24(38-26(42)18(5)32)15-19-8-10-20(31)11-9-19/h8-11,16-18,21-24H,6-7,12-15,32H2,1-5H3,(H2,33,41)(H,37,43)(H,38,42)(H,39,44)(H,40,45)(H4,34,35,36)/t18-,21-,22-,23-,24-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


J Med Chem 38: 4125-30 (1995)


Article DOI: 10.1021/jm00020a029
BindingDB Entry DOI: 10.7270/Q21J98SG
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50031430
PNG
((S)-2-[(S)-2-((S)-2-Amino-propionylamino)-3-(4-flu...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C30H51FN12O5/c1-16(2)14-22(43-28(48)23(42-25(45)17(3)32)15-18-8-10-19(31)11-9-18)27(47)41-21(7-5-13-39-30(36)37)26(46)40-20(24(33)44)6-4-12-38-29(34)35/h8-11,16-17,20-23H,4-7,12-15,32H2,1-3H3,(H2,33,44)(H,40,46)(H,41,47)(H,42,45)(H,43,48)(H4,34,35,38)(H4,36,37,39)/t17-,20-,21-,22-,23-/m0/s1
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n/an/an/an/a 4.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the activation of human thrombin receptor measured by platelet aggregation


J Med Chem 38: 4125-30 (1995)


Article DOI: 10.1021/jm00020a029
BindingDB Entry DOI: 10.7270/Q21J98SG
More data for this
Ligand-Target Pair